SCHEMBL683823

SCHEMBL683823

Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
LMNA P02545 2/20 0.68
TYK2 P29597 1/20 0.65
POLB P06746 2/20 0.56
PKM P14618 1/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PRMT1 Q99873 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4894565 0.86 MEN1 (0.56) MEN1KMT2ALMNATYK2POLB
SCHEMBL1437928 0.83 KMT2A (0.80) MEN1KMT2ALMNATYK2MAPT
SCHEMBL11310396 0.81 MEN1 (0.70) MEN1KMT2ALMNAPOLBPKM
SCHEMBL11306035 0.81 NPC1 (0.71) MEN1KMT2ALMNAPOLBPKM
SCHEMBL7292242 0.79 RAB9A (0.69) MEN1KMT2ALMNATYK2POLB
Ameltolide SCHEMBL635392 0.79 S1PR4 (0.56) MEN1KMT2ALMNAPOLBPKM
SCHEMBL14566867 0.78 JAK2 (0.55) MEN1KMT2ALMNATYK2POLB
SCHEMBL9894627 0.76 PTGS1 (0.51) MEN1KMT2ALMNAPOLBPKM
SCHEMBL4905569 0.75 MAPT (0.76) MEN1KMT2ALMNAPOLBPKM
SCHEMBL13972812 0.75 NPC1 (0.73) MEN1KMT2ALMNAPOLBPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB MEN1 1490/4885KMT2A 1060/4885LMNA 1303/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L MEN1 3978/4885KMT2A 2578/4885LMNA 1290/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.